(3R)-1-(2,4-dimethoxyphenyl)-3-(3-methoxyanilino)pyrrolidine-2,5-dione

C19H20N2O5 — CID 51860142

IUPAC(3R)-1-(2,4-dimethoxyphenyl)-3-(3-methoxyanilino)pyrrolidine-2,5-dione
SMILESCOc1cccc(N[C@@H]2CC(=O)N(c3ccc(OC)cc3OC)C2=O)c1
InChIInChI=1S/C19H20N2O5/c1-24-13-6-4-5-12(9-13)20-15-11-18(22)21(19(15)23)16-8-7-14(25-2)10-17(16)26-3/h4-10,15,20H,11H2,1-3H3/t15-/m1/s1
InChIKeyJMZALDVJYPKDOO-OAHLLOKOSA-N
MW356.38 g/mol
LogP2.46
Rot. Bonds6

About (3R)-1-(2,4-dimethoxyphenyl)-3-(3-methoxyanilino)pyrrolidine-2,5-dione

(3R)-1-(2,4-dimethoxyphenyl)-3-(3-methoxyanilino)pyrrolidine-2,5-dione (PubChem CID 51860142) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is (3R)-1-(2,4-dimethoxyphenyl)-3-(3-methoxyanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-(2,4-dimethoxyphenyl)-3-(3-methoxyanilino)pyrrolidine-2,5-dione
PubChem CID51860142
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name(3R)-1-(2,4-dimethoxyphenyl)-3-(3-methoxyanilino)pyrrolidine-2,5-dione
SMILESCOc1cccc(N[C@@H]2CC(=O)N(c3ccc(OC)cc3OC)C2=O)c1
InChIInChI=1S/C19H20N2O5/c1-24-13-6-4-5-12(9-13)20-15-11-18(22)21(19(15)23)16-8-7-14(25-2)10-17(16)26-3/h4-10,15,20H,11H2,1-3H3/t15-/m1/s1
InChIKeyJMZALDVJYPKDOO-OAHLLOKOSA-N
XLogP2.46
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(4-bromoanilino)-1-(2,4-dimethoxyphenyl)pyrrolidine-2,5-dione
CID 43844652
(3S)-3-(4-bromoanilino)-1-(2,4-dimethoxyphenyl)pyrrolidine-2,5-dione
CID 51860153
(3R)-3-(3-methoxyanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 27523345
1-(2,4-dimethoxyphenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione
CID 22332764
(3R)-1-(2,4-dimethoxyphenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione
CID 98188163
(3R)-3-(2,3-dichloroanilino)-1-(2,4-dimethoxyphenyl)pyrrolidine-2,5-dione
CID 93235231
(3R)-3-(2-bromoanilino)-1-(2,4-dimethoxyphenyl)pyrrolidine-2,5-dione
CID 93235235
(3R)-1-(2,4-dimethoxyphenyl)-3-(2,5-dimethylanilino)pyrrolidine-2,5-dione
CID 51860137
(3R)-3-(4-methoxyanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 691645
(3S)-1-(2,4-dimethoxyphenyl)-3-[4-(tetrazol-1-yl)anilino]pyrrolidine-2,5-dione
CID 51660732
1-(3,4-dichlorophenyl)-3-(3-methoxyanilino)pyrrolidine-2,5-dione
CID 3928283
1-(4-ethylphenyl)-3-(3-methoxyanilino)pyrrolidine-2,5-dione
CID 43844549

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2,4-dimethoxyphenyl)-3-(3-methoxyanilino)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-(2,4-dimethoxyphenyl)-3-(3-methoxyanilino)pyrrolidine-2,5-dione (CID 51860142) is (3R)-1-(2,4-dimethoxyphenyl)-3-(3-methoxyanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-(2,4-dimethoxyphenyl)-3-(3-methoxyanilino)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-(2,4-dimethoxyphenyl)-3-(3-methoxyanilino)pyrrolidine-2,5-dione is COc1cccc(N[C@@H]2CC(=O)N(c3ccc(OC)cc3OC)C2=O)c1.
What is the InChIKey of (3R)-1-(2,4-dimethoxyphenyl)-3-(3-methoxyanilino)pyrrolidine-2,5-dione?
The InChIKey is JMZALDVJYPKDOO-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-24-13-6-4-5-12(9-13)20-15-11-18(22)21(19(15)23)16-8-7-14(25-2)10-17(16)26-3/h4-10,15,20H,11H2,1-3H3/t15-/m1/s1.
What are the key properties of (3R)-1-(2,4-dimethoxyphenyl)-3-(3-methoxyanilino)pyrrolidine-2,5-dione?
(3R)-1-(2,4-dimethoxyphenyl)-3-(3-methoxyanilino)pyrrolidine-2,5-dione has a molecular weight of 356.38 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2,4-dimethoxyphenyl)-3-(3-methoxyanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 51860142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).